4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine

C14H16ClN5 — CID 80754256

IUPAC4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine
SMILESNc1nccc(N2CCN(c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C14H16ClN5/c15-11-1-3-12(4-2-11)19-7-9-20(10-8-19)13-5-6-17-14(16)18-13/h1-6H,7-10H2,(H2,16,17,18)
InChIKeyBNMSOWXYAPCTKF-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.04
Rot. Bonds2

About 4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine

4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 80754256) has the molecular formula C14H16ClN5 and a molecular weight of 289.77 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID80754256
Molecular FormulaC14H16ClN5
Molecular Weight289.77 g/mol
Exact Mass289.11
IUPAC Name4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine
SMILESNc1nccc(N2CCN(c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C14H16ClN5/c15-11-1-3-12(4-2-11)19-7-9-20(10-8-19)13-5-6-17-14(16)18-13/h1-6H,7-10H2,(H2,16,17,18)
InChIKeyBNMSOWXYAPCTKF-UHFFFAOYSA-N
XLogP2.04
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine (CID 80754256) is 4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine is Nc1nccc(N2CCN(c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of 4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is BNMSOWXYAPCTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5/c15-11-1-3-12(4-2-11)19-7-9-20(10-8-19)13-5-6-17-14(16)18-13/h1-6H,7-10H2,(H2,16,17,18).
What are the key properties of 4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine?
4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 289.77 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 80754256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).